Introduction：Basic information about CAS 645-83-0|3-(Methylsulfonyl)propanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(Methylsulfonyl)propanoic acid |
|---|
| CAS Number | 645-83-0 | Molecular Weight | 152.16900 |
|---|
| Density | 1.38g/cm3 | Boiling Point | 409ºC at 760mmHg |
|---|
| Molecular Formula | C4H8O4S | Melting Point | / |
|---|
| MSDS | / | Flash Point | 201.1ºC |
|---|
Names
| Name | 3-methylsulfonylpropanoic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.38g/cm3 |
|---|
| Boiling Point | 409ºC at 760mmHg |
|---|
| Molecular Formula | C4H8O4S |
|---|
| Molecular Weight | 152.16900 |
|---|
| Flash Point | 201.1ºC |
|---|
| Exact Mass | 152.01400 |
|---|
| PSA | 79.82000 |
|---|
| LogP | 0.58650 |
|---|
| Index of Refraction | 1.474 |
|---|
| InChIKey | ODUCCTTZGHSNKX-UHFFFAOYSA-N |
|---|
| SMILES | CS(=O)(=O)CCC(=O)O |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UA2474200
- CHEMICAL NAME :
- Propanoic acid, 3-(methylsulfonyl)-
- CAS REGISTRY NUMBER :
- 645-83-0
- BEILSTEIN REFERENCE NO. :
- 1764384
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C4-H8-O4-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 30,242,1971
|
Safety Information
Customs
| HS Code | 2915900090 |
|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
|---|
Synonyms
| Propionic acid,3-(methylsulfonyl) |
| 3-Methansulfonyl-propionsaeure |
| Methylsulfonyl propionic acid |
| 3-Methylsulfon-propionsaeure |
| 3-(methylsulfonyl)propanoic acid |
| Propanoic acid,3-(methylsulfonyl) |
| 3-Methylsulfonyl-propionsaeure |
| 3-methanesulfonyl-propionic acid |
| MSPA |
